Structure of PDB 8vlq Chain B

Receptor sequence

>8vlqB (length=375) Species: 32044 (Pseudomonas sp. 'mevalonii')

LDSRLPAFRNLSPAARLDHIGQLLGLSHDDVSLLANAGALPMDIANGMIE
NVIGTFELPYAVASNFQINGRDVLVPLVVEEPSIVAAASYMAKLARANGG
FTTSSSAPLMHAQVQIVGIQDPLNARLSLLRRKDEIIELANRKDQLLNSL
GGGCRDIEVHTFADTPRGPMLVAHLIVDVRDAMGANTVNTMAEAVAPLME
AITGGQVRLRILSNLADLRLARAQVRITPQQLETAEFSGEAVIEGILDAY
AFAAVDPYRAATHNKGIMNGIDPLIVATGNDWRAVEAGAHAYACRSGHYG
SLTTWEKDNNGHLVGTLEMPMPVGLVGGATKTHPLAQLSLRILGVKTAQA
LAEIAVAVGLAQNLGAMRALATEGI

3D structure

• PDB: 8vlq pH-dependent reaction triggering in PmHMGR crystals for time-resolved crystallography.
• Chain: B
• Resolution: 2.07 Å

Enzymatic activity

• Enzyme Commision number: 1.1.1.88: hydroxymethylglutaryl-CoA reductase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	COA	B	E552 N553	E50 N51
BS02	NAD	B	D646 L648 L652 R682 D683 A684 M685 G686 A687 N688 T689 N716 D783 V828 G829 G830	D144 L146 L150 R180 D181 A182 M183 G184 A185 N186 T187 N214 D281 V326 G327 G328
BS03	NAI	B	D646 L652 D683 A684 M685 G686 A687 N688 T689 L714 N716 V828 G829 G830	D144 L150 D181 A182 M183 G184 A185 N186 T187 L212 N214 V326 G327 G328
BS04	MEV	B	E583 R761 T764 N771	E81 R259 T262 N269

Gene Ontology

Molecular Function

• GO:0004420 hydroxymethylglutaryl-CoA reductase (NADPH) activity
• GO:0016491 oxidoreductase activity
• GO:0016616 oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
• GO:0140643 hydroxymethylglutaryl-CoA reductase (NADH) activity

Biological Process

• GO:0015936 coenzyme A metabolic process

External links

• PDB: RCSB:8vlq, PDBe:8vlq, PDBj:8vlq
• PDBsum: 8vlq
• PubMed: 38327055
• UniProt: P13702|MVAA_PSEMV 3-hydroxy-3-methylglutaryl-coenzyme A reductase (Gene Name=mvaA)